Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSAEVRLRRLQQLVLDPGFLGLEPLLDLLLGVHQELGASELAQDKYVADFLQWAEPIVVRLKEVRLQRDDFEILKVIGRGAFSEVAVVKMKQTG----QVYAMKIMNKWDMLKRGEVSCFREERDVLVNGDRRWITQLHFAFQDENYLYLVMEYYVGGDLLTLLSK---FGERIPAEMARFYLAEIVMAIDSVHRLGYVHRDIKPDNILLDRCGHIRLADFGSCLKLRADGTVRSLVAVGTPDYLSPEILQAVGGGPGTGSYGPECDWWALGVFAYEMFYGQTPFYADSTAETYGKIVHYKEHLSLPLVDEGVPEEARDFIQRLLC-PPETRLGRG--GAGDFRTHPFFFGLDWDGL--RDSVPPFTPDFEGATDTCNFDLVEDGLTAMVSGGGETLSDIREGAPLGVHLPFVGYSYSCMALRDSEVPGPTPMELEAEQLLEPHVQAPSLEPSVSPQDETAEVAVPAAVPAAEAEAEVTLRELQEALEEEVLTRQSLSREMEAIRTDNQNFASQLREAEARNRDLEAHVRQLQERMELLQAEGATAVTGVPSPRATDPPSHLDGPPAVAVGQCPLVGPGPMHRRHLLLPARVPRPGLSEALSLLLFAVVLSRAAALGCIGLVAHAGQLTAVWRRPGAARAP |
| 4NW5 Chain:A ((15-322)) | -----------------------------------------AITHHVKEGHEKADP------------SQFELLKVLGQGSFGKVFLVK-KISGSDARQLYAMKVLKKATLKVRDRVRT-KMERDILVEVNHPFIVKLHYAFQTEGKLYLILDFLRGGDLFTRLSKEVMFTE----EDVKFYLAELALALDHLHSLGIIYRDLKPENILLDEEGHIKLTDFGLS-KESIDHEKKAYSFCGTVEYMAPEVVNRRG-------HTQSADWWSFGVLMFEMLTGTLPFQGKDRKETMTMIL--KAKLGMP---QFLSPEAQSLLRMLFKRNPANRLGAGPDGVEEIKRHSFFSTIDWNKLYRREIHPPFKP-------TFYFDP-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4NW5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -164679 for 2271 contacts (-72.5/contact) +
2D Compatibility (PS) -31566 + (NN) -18452 + (LL) 23512
1D Compatibility (HY) -25200 + (ID) 6200
Total energy: -222585.0 ( -98.01 by residue)
QMean score : 0.478
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